2,4-dimethylpentane

C7H15- — CID 91580725

IUPAC2,4-dimethylpentane
SMILESCC(C)[CH-]C(C)C
InChIInChI=1S/C7H15/c1-6(2)5-7(3)4/h5-7H,1-4H3/q-1
InChIKeyIBPSXSYIKJSWEL-UHFFFAOYSA-N
MW99.20 g/mol
LogP2.50
Rot. Bonds2

About 2,4-dimethylpentane

2,4-dimethylpentane (PubChem CID 91580725) has the molecular formula C7H15- and a molecular weight of 99.20 g/mol. Its IUPAC name is 2,4-dimethylpentane.

Molecular Properties

Compound Name2,4-dimethylpentane
PubChem CID91580725
Molecular FormulaC7H15-
Molecular Weight99.20 g/mol
Exact Mass99.12
IUPAC Name2,4-dimethylpentane
SMILESCC(C)[CH-]C(C)C
InChIInChI=1S/C7H15/c1-6(2)5-7(3)4/h5-7H,1-4H3/q-1
InChIKeyIBPSXSYIKJSWEL-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.20
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 2,4-dimethylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 7892
CID 7892
CID 6556
CID 6556
CID 7282
CID 7282
CID 11582
CID 11582
CID 7907
CID 7907
CID 448071
CID 448071
CID 12994092
CID 12994092
CID 16213381
CID 16213381
CID 12421370
CID 12421370
CID 21719804
CID 21719804
CID 23234143
CID 23234143
CID 23234145
CID 23234145

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentane?
The IUPAC name of 2,4-dimethylpentane (CID 91580725) is 2,4-dimethylpentane.
What is the SMILES notation for 2,4-dimethylpentane?
The canonical SMILES for 2,4-dimethylpentane is CC(C)[CH-]C(C)C.
What is the InChIKey of 2,4-dimethylpentane?
The InChIKey is IBPSXSYIKJSWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15/c1-6(2)5-7(3)4/h5-7H,1-4H3/q-1.
What are the key properties of 2,4-dimethylpentane?
2,4-dimethylpentane has a molecular weight of 99.20 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentane is sourced from PubChem (CID 91580725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).